SCHEMBL18218263

SCHEMBL18218263

Cc1ccc(S(=O)(=O)O)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc([SH](=O)=O)cc4)c(N)c3c2O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.51
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ THRB P10828 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ PHLPP2 Q6ZVD8 3/20 0.42
▸ PRMT1 Q99873 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39
▸ MPL P40238 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13763490 0.89 ENPP2 (0.54) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL13366835 0.86 ENPP2 (0.49) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL13366851 0.85 ENPP2 (0.52) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL18218261 0.85 PRMT1 (0.56) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL13763489 0.85 ENPP2 (0.51) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL17676441 0.84 ENPP2 (0.58) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL16062682 0.81 PRMT1 (0.58) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL13366853 0.80 ENPP2 (0.49) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL13151798 0.79 ENPP2 (0.53) ENPP2MEN1HTTKMT2ATHRB
SCHEMBL8816878 0.79 ENPP2 (0.54) ENPP2MEN1HTTKMT2ATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
EP-3091056-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING Everlight Chemical Industrial Corporation (TW) 2016-11-09 — — EP disclosed
Send feedback